2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid

C15H19NO5 — CID 116681214

IUPAC2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid
SMILESCOc1cccc(OC)c1C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-9(15(18)19)10-7-16(8-10)14(17)13-11(20-2)5-4-6-12(13)21-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)
InChIKeyUJDNSBTXHXXWQY-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.50
Rot. Bonds5

About 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid

2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid (PubChem CID 116681214) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid
PubChem CID116681214
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid
SMILESCOc1cccc(OC)c1C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-9(15(18)19)10-7-16(8-10)14(17)13-11(20-2)5-4-6-12(13)21-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)
InChIKeyUJDNSBTXHXXWQY-UHFFFAOYSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-methoxy-4-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681043
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-(2,6-dimethoxyphenyl)methanone
CID 69121998
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684119
2-[1-(2-chloro-6-nitrobenzoyl)azetidin-3-yl]propanoic acid
CID 116681254
2-[1-(3-methoxy-2-nitrophenyl)azetidin-3-yl]propanoic acid
CID 116682033
2-[1-(2-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681215
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
2-[1-(2-methyl-3-nitrobenzoyl)azetidin-3-yl]propanoic acid
CID 116680816
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid (CID 116681214) is 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid is COc1cccc(OC)c1C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid?
The InChIKey is UJDNSBTXHXXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(15(18)19)10-7-16(8-10)14(17)13-11(20-2)5-4-6-12(13)21-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid?
2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).